Delta(6)-protoilludene

Details

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Internal ID a650cd67-3e6b-450b-8759-70fa108bc03c
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Illudanes and illudins
IUPAC Name (4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24/c1-10-7-11-8-14(2,3)9-13(11)15(4)6-5-12(10)15/h11,13H,5-9H2,1-4H3/t11-,13+,15+/m1/s1
InChI Key FBSBGGJQVUYUDB-ZLDLUXBVSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.30

Synonyms

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6-protoilludene
Delta6-Protoilludene
(4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indene
Protoillud-6-ene
Delta2,4-protoilludene
CHEBI:68655
FBSBGGJQVUYUDB-ZLDLUXBVSA-N
C20476
Q27137083
(4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Delta(6)-protoilludene

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.81% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.41% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.27% 97.25%
CHEMBL240 Q12809 HERG 87.74% 89.76%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.25% 100.00%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 85.01% 94.78%
CHEMBL221 P23219 Cyclooxygenase-1 84.55% 90.17%
CHEMBL259 P32245 Melanocortin receptor 4 83.39% 95.38%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.57% 95.56%
CHEMBL1871 P10275 Androgen Receptor 82.05% 96.43%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.41% 91.11%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 15939655
LOTUS LTS0191738
wikiData Q27137083